5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole

C21H19NO2 — CID 141295945

IUPAC5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1C1CO1
InChIInChI=1S/C21H19NO2/c1-13-20(19-12-23-19)21(24-22-13)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-2-3-14/h4-11,14,19H,2-3,12H2,1H3
InChIKeyJXZSSZSGVRPJIK-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.27
Rot. Bonds4

About 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole

5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole (PubChem CID 141295945) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole
PubChem CID141295945
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1C1CO1
InChIInChI=1S/C21H19NO2/c1-13-20(19-12-23-19)21(24-22-13)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-2-3-14/h4-11,14,19H,2-3,12H2,1H3
InChIKeyJXZSSZSGVRPJIK-UHFFFAOYSA-N
XLogP5.27
TPSA38.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde
CID 141297227
N-[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]-3-methylbutanamide
CID 141296062
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(2-phenylethylsulfonylmethyl)-1,2-oxazole
CID 141296044
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
(4S)-4-benzyl-3-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]methyl]-1,3-oxazolidin-2-one;carbonic acid
CID 122636280
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine
CID 122636327
N-(2-benzylcyclohexyl)-5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-amine;carbonic acid
CID 122636310
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine
CID 122636262
2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 25132011
carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide
CID 122636324
carbon dioxide;1-phenylethyl N-[5-[4-(4-cyclopropylcyclohexyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 162115929

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole?
The IUPAC name of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole (CID 141295945) is 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole?
The canonical SMILES for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole is Cc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1C1CO1.
What is the InChIKey of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole?
The InChIKey is JXZSSZSGVRPJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-13-20(19-12-23-19)21(24-22-13)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-2-3-14/h4-11,14,19H,2-3,12H2,1H3.
What are the key properties of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole?
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole has a molecular weight of 317.39 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-4-(oxiran-2-yl)-1,2-oxazole is sourced from PubChem (CID 141295945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).